3-Pentenenitrile

CAT: 0024-sc-231896Size: 250 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-231896Size:250 mL

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CAS Number

4635-87-4

Chemical Information

trans-3-Pentenenitrile

See also: 3-Pentenenitrile, (liquid) (annotation moved to); Pent-3-enenitrile (annotation moved to).

CAS Number	4635-87-4
PubChem CID	5324707
IUPAC Name	(E)-pent-3-enenitrile
Molecular Formula	C5H7N
Molecular Weight	81.12
XLogP	1
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	83

SMILES

C/C=C/CC#N

InChI

InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3/b3-2+

InChIKey

UVKXJAUUKPDDNW-NSCUHMNNSA-N

Chemical Structure

2D Structure

CAS: 4635-87-4

CID: 5324707

Formula: C5H7N

MW: 81.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	81.12
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	81.057849228
Monoisotopic Mass	81.057849228
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	83.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-232940	4-Pentenenitrile
sc-217073	4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile
sc-206321	2- (3,4-Dimethoxy-phenyl) -5-{[2- (3,4-dimethoxyphenyl) -ethyl]methyl-amino}-pentanenitrile
sc-273799	2- (2,4-Dichloro-phenyl) -pentanenitrile
sc-335482A	2,4-Dibromo-5-chlorooctafluoro-pentanonitrile
sc-335482	2,4-Dibromo-5-chlorooctafluoro-pentanonitrile
sc-260433	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
sc-260433A	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
sc-261129	3,3,3-Trifluoropropionitrile
sc-347307A	3,3,3-trifluoropropanamide

Catalog	Name
OR1043769-01	3-Pentenenitrile
FP178974-01	2-Pentenenitrile
286385-01	4-Pentenenitrile
TRC-C284841-250MG	Cis-2-pentenenitrile
P04360-01	2-Pentenenitrile 70%
419067-01	2-Phenyl-4-pentenenitrile
AR-P30702-01	(2E) -4-Methyl-2-pentenenitrile
TRC-A549215-10G	2-Allyl-2-phenyl-4-pentenenitrile
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine